N-[4-(azepan-1-yl)phenyl]-4-(methylamino)-3-nitro-benzamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-4-(methylamino)-3-nitro-benzamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-4-(methylamino)-3-nitro-benzamide CAS Name: N-[4-(1-azepanyl)phenyl]-4-(methylamino)-3-nitrobenzamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-4-(methylamino)-3-nitrobenzamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-4-(methylamino)-3-nitro-benzamide Formula: C20H24N4O3 MolecularWeight: 368.42956

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O3/c1-21-18-11-6-15(14-19(18)24(26)27)20(25)22-16-7-9-17(10-8-16)23-12-4-2-3-5-13-23/h6-11,14,21H,2-5,12-13H2,1H3,(H,22,25)